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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:36 UTC
Update Date2025-03-25 00:46:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157130
Frequency0.5
Structure
Chemical FormulaC17H22O11
Molecular Mass402.1162
SMILESO=CC(O)C(O)C(OC(=O)CCC(O)Cc1ccc(O)c(O)c1)C(O)C(=O)O
InChI KeyGNLLWENLJKPFAN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent glucuronic acid derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alpha hydroxy acids and derivatives
  • alpha-hydroxyaldehydes
  • benzene and substituted derivatives
  • beta-hydroxy aldehydes
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • secondary alcohols
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • beta-hydroxy aldehyde
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • alpha-hydroxy acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • organic oxide
  • alpha-hydroxyaldehyde
  • alcohol
  • aldehyde
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • fatty acid ester
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid